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(E)-1-Adamantyl-2-(4-methylphenyl)ethenyene
SpectraBase Compound ID FCKxWbGMC3s
InChI InChI=1S/C19H24/c1-14-2-4-15(5-3-14)6-7-19-11-16-8-17(12-19)10-18(9-16)13-19/h2-7,16-18H,8-13H2,1H3/b7-6+/t16-,17+,18-,19+
InChIKey KRDHULBVDZESML-XQGTVJOKSA-N
Mol Weight 252.4 g/mol
Molecular Formula C19H24
Exact Mass 252.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H18Uz2YBGLl
Name (E)-1-Adamantyl-2-(4-methylphenyl)ethenyene
Comments Computed using HOSE algorithm
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Exact Mass 252.187800773 u
Formula C19H24
InChI InChI=1S/C19H24/c1-14-2-4-15(5-3-14)6-7-19-11-16-8-17(12-19)10-18(9-16)13-19/h2-7,16-18H,8-13H2,1H3/b7-6+/t16-,17+,18-,19+
InChIKey KRDHULBVDZESML-XQGTVJOKSA-N
Molecular Weight 252.401 g/mol
SMILES C12(\C=C\C3=CC=C(C=C3)C)C[C@]3(C[C@@](C1)(C[C@@](C2)(C3)[H])[H])[H]